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root/group/branches/new_design/OOPSE-4/src/primitives/Bond.hpp
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Comparing branches/new_design/OOPSE-4/src/primitives/Bond.hpp (file contents):
Revision 1747 by tim, Wed Nov 17 18:58:49 2004 UTC vs.
Revision 1803 by tim, Tue Nov 30 17:54:22 2004 UTC

# Line 34 | Line 34
34   #ifndef PRIMITIVES_BOND_HPP
35   #define PRIMITIVES_BOND_HPP
36  
37 + #include "primitives/Atom.hpp"
38   #include "types/BondType.hpp"
39  
40   namespace oopse {
41  
42   class Bond {
43      public:
44 <        Bond(Atom* atom1, Atom* atom2, BondType* bt);
44 >        Bond(Atom* atom1, Atom* atom2, BondType* bt) : atom1_(atom1), atom2_(atom2), bondType_(bt) {}
45  
46          void calcForce() {
47              double len;
# Line 62 | Line 63 | class Bond {
63              return potential_;
64          }
65  
66 +        Atom* getAtomA() {
67 +            return atom1_;
68 +        }
69 +
70 +        Atom* getAtomB() {
71 +            return atom2_;
72 +        }
73 +
74 +        BondType* getBondType() {
75 +            return bondType_;
76 +        }
77      private:
78          
79          BondType* bondType_; /**< bond type */

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